6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one

C13H12N4O2 — CID 121190992

IUPAC6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2Cc3cccnc3C2)ccc1=O
InChIInChI=1S/C13H12N4O2/c1-16-12(18)5-4-10(15-16)13(19)17-7-9-3-2-6-14-11(9)8-17/h2-6H,7-8H2,1H3
InChIKeyXHMDLTVACBTETG-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.33
Rot. Bonds1

About 6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one

6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one (PubChem CID 121190992) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one
PubChem CID121190992
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2Cc3cccnc3C2)ccc1=O
InChIInChI=1S/C13H12N4O2/c1-16-12(18)5-4-10(15-16)13(19)17-7-9-3-2-6-14-11(9)8-17/h2-6H,7-8H2,1H3
InChIKeyXHMDLTVACBTETG-UHFFFAOYSA-N
XLogP0.33
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one (CID 121190992) is 6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one is Cn1nc(C(=O)N2Cc3cccnc3C2)ccc1=O.
What is the InChIKey of 6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one?
The InChIKey is XHMDLTVACBTETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-16-12(18)5-4-10(15-16)13(19)17-7-9-3-2-6-14-11(9)8-17/h2-6H,7-8H2,1H3.
What are the key properties of 6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one?
6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one has a molecular weight of 256.26 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 121190992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).